Basic information
- Name:
1H-Imidazole-4,5-dicarboxylicacid, 4,5-diethyl ester
- Superlist Name:
- Diethyl 1H-imidazole-4,5-dicarboxylate
- CAS No.:
1080-79-1
- Molecular Structure:
- Formula:
- C9H12N2O4
- Molecular Weight:
- 212.20
- Synonyms:
- 1H-Imidazole-4,5-dicarboxylicacid, diethyl ester (9CI);Imidazole-4,5-dicarboxylic acid, diethyl ester (6CI,7CI,8CI);4,5-Bis(carboethoxy)imidazole;4,5-Bis(ethoxycarbonyl)imidazole;4,5-Di(ethoxycarbonyl)-1H-imidazole;Diethyl 4,5-imidazoledicarboxylate;Imidazol-4,5-dicarboxylic acid diethyl ester;NSC 514471;
- Density:
- 1.25 g/cm3
- Melting Point:
- 210-216 °C
- Boiling Point:
- 357.86 °C at 760 mmHg
- Flash Point:
- 170.228 °C
- Hazard Symbols:
Xi
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Chemistry
IUPAC Name: Diethyl 1H-imidazole-4,5-dicarboxylate
Following is the structure of 1H-Imidazole-4,5-dicarboxylicacid, 4,5-diethyl ester (CAS NO.1080-79-1):
Empirical Formula: C9H12N2O4
Molecular Weight: 212.2026 g/mol
Molar Refractivity: 51.58 cm3
Molar Volume: 169.7 cm3
Density: 1.249 g/cm3
Flash Point: 170.2 °C
Index of Refraction: 1.519
Melting point: 210-216 °C
Surface Tension: 49.4 dyne/cm
Enthalpy of Vaporization: 60.33 kJ/mol
Boiling Point: 357.9 °C at 760 mmHg
Vapour Pressure of 1H-Imidazole-4,5-dicarboxylicacid, 4,5-diethyl ester (CAS NO.1080-79-1): 2.65E-05 mmHg at 25 °C
Product Categories of 1H-Imidazole-4,5-dicarboxylicacid, 4,5-diethyl ester (CAS NO.1080-79-1): blocks; Carboxes; Imidazoles
Canonical SMILES: CCOC(=O)C1=C(N=CN1)C(=O)OCC
InChI: InChI=1S/C9H12N2O4/c1-3-14-8(12)6-7(11-5-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
InChIKey: NQKKUSLBNWTXQI-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xi
Hazard Note: Irritant
Specification
1H-Imidazole-4,5-dicarboxylicacid, 4,5-diethyl ester , its cas register number is 1080-79-1. It also can be called
